KC7F2 - 10mM in DMSO , CAS No.927822-86-4

CAS: 927822-86-4 Cat. No.: K426955 Molecular Weight: 570.38 EC Number: 809-789-3

GRADE & PURITY 10mM in DMSO

Synonyms

N,N'-(Dithiodi-2,1-ethanediyl)bis[2,5-dichlorobenzenesulfonamide | N,N'-(Dithiodi-2,1-ethanediyl)bis[2,5-dichloro-benzenesulfonamide | s7946 | N11409 | Q27271666 | MFCD22683809 | UNII-94C2DMM81L | AKOS024458094 | AC-35265 | EX-A1116 | BCP16036 | A900114 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

N, N'-(Dithiodi-2, 1-ethanediyl)bis[2, 5-dichlorobenzenesulfonamide | N, N'-(Dithiodi-2, 1-ethanediyl)bis[2, 5-dichloro-benzenesulfonamide | s7946 | N11409 | Q27271666 | MFCD22683809 | UNII-94C2DMM81L | AKOS024458094 | AC-35265 | EX-A1116 | BCP16036 | A900114 |

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

HIF-1α inhibitors. Works by down-regulating HIF-1α protein synthesis and reducing phosphorylation of eIF4E-binding proteins 1 (4EBP1) and p70 S6K under hypoxia conditions. It also prevents hypoxia-induced accumulation of HIF-1α in a range of human cancer

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1Cl)S(=O)(=O)NCCSSCCNS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)Cl
• IUPAC Name: 2,5-dichloro-N-[2-[2-[(2,5-dichlorophenyl)sulfonylamino]ethyldisulfanyl]ethyl]benzenesulfonamide
• InChIKey: REQLACDIZMLXIC-UHFFFAOYSA-N
• INCHI: 1S/C16H16Cl4N2O4S4/c17-11-1-3-13(19)15(9-11)29(23,24)21-5-7-27-28-8-6-22-30(25,26)16-10-12(18)2-4-14(16)20/h1-4,9-10,21-22H,5-8H2
• Isomeric SMILES: C1=CC(=C(C=C1Cl)S(=O)(=O)NCCSSCCNS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)Cl
• WGK Germany: 3
• Molecular Weight: 570.38
• Reaxy-Rn: 15467335
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15467335&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Dichlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Dialkyldisulfides Sulfenyl compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - 1,4-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organic disulfide - Dialkyldisulfide - Sulfenyl compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Molecular Weight: 570.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 569.872 Da
• Monoisotopic Mass: 567.875 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 671.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1